9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate

C64H64F24N6O4P4S4 — CID 11804614

About 9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate

9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate (PubChem CID 11804614) has the molecular formula C64H64F24N6O4P4S4 and a molecular weight of 1689.37 g/mol. Its IUPAC name is 9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate.

Molecular Properties

• Compound Name: 9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate
• PubChem CID: 11804614
• Molecular Formula: C64H64F24N6O4P4S4
• Molecular Weight: 1689.37 g/mol
• Exact Mass: 1688.24
• IUPAC Name: 9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate
• SMILES: Cc1c2c3c(C)n1CCOCCOc1ccc(cc1)OCCOCCn1c(C)c4c(c1C)SC(=C(S2)S3)S4.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2
• InChI: InChI=1S/C36H32N4.C28H32N2O4S4.4F6P/c1-2-30-4-3-29(1)25-37-17-9-33(10-18-37)35-13-21-39(22-14-35)27-31-5-7-32(8-6-31)28-40-23-15-36(16-24-40)34-11-19-38(26-30)20-12-34;1-17-23-24-18(2)29(17)9-11-31-13-15-33-21-5-7-22(8-6-21)34-16-14-32-12-10-30-19(3)25-26(20(30)4)38-28(37-25)27(35-23)36-24;4*1-7(2,3,4,5)6/h1-24H,25-28H2;5-8H,9-16H2,1-4H3;;;;/q+4;;4*-1
• InChIKey: NDTGKGSIVSGAOC-UHFFFAOYSA-N
• XLogP: 25.46
• TPSA: 62.30 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1689.37
LogP ≤ 5	25.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate?

The IUPAC name of 9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate (CID 11804614) is 9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate.

What is the SMILES notation for 9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate?

The canonical SMILES for 9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate is Cc1c2c3c(C)n1CCOCCOc1ccc(cc1)OCCOCCn1c(C)c4c(c1C)SC(=C(S2)S3)S4.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.c1cc2ccc1C[n+]1ccc(cc1)-c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2.

What is the InChIKey of 9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate?

The InChIKey is NDTGKGSIVSGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4.C28H32N2O4S4.4F6P/c1-2-30-4-3-29(1)25-37-17-9-33(10-18-37)35-13-21-39(22-14-35)27-31-5-7-32(8-6-31)28-40-23-15-36(16-24-40)34-11-19-38(26-30)20-12-34;1-17-23-24-18(2)29(17)9-11-31-13-15-33-21-5-7-22(8-6-21)34-16-14-32-12-10-30-19(3)25-26(20(30)4)38-28(37-25)27(35-23)36-24;4*1-7(2,3,4,5)6/h1-24H,25-28H2;5-8H,9-16H2,1-4H3;;;;/q+4;;4*-1.

What are the key properties of 9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate?

9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate has a molecular weight of 1689.37 g/mol, XLogP of 25.46, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9,18,31,34-tetramethyl-2,5,22,25-tetraoxa-12,15,32,33-tetrathia-8,19-diazahexacyclo[24.2.2.18,11.110,13.114,17.116,19]tetratriaconta-1(29),9,11(34),13,16(31),17,26(30),27-octaene;5,12,19,26-tetrazoniaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetraconta-1(29),2(40),3,5(39),7,9,12,14,16(34),17,19(33),21(32),22,24(31),26(30),27,35,37-octadecaene;tetrahexafluorophosphate is sourced from PubChem (CID 11804614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).